N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide

C24H18N2O4 — CID 13439298

IUPACN'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H18N2O4/c1-13-7-5-8-14(2)20(13)26-24(30)23(29)25-18-12-6-11-17-19(18)22(28)16-10-4-3-9-15(16)21(17)27/h3-12H,1-2H3,(H,25,29)(H,26,30)
InChIKeyBJDDLSQESCYJCR-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.66
Rot. Bonds2

About N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide

N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide (PubChem CID 13439298) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
PubChem CID13439298
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H18N2O4/c1-13-7-5-8-14(2)20(13)26-24(30)23(29)25-18-12-6-11-17-19(18)22(28)16-10-4-3-9-15(16)21(17)27/h3-12H,1-2H3,(H,25,29)(H,26,30)
InChIKeyBJDDLSQESCYJCR-UHFFFAOYSA-N
XLogP3.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
N-(2,6-dimethylphenyl)-9-oxofluorene-1-carboxamide
CID 11558929
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
N,N'-bis(2-methyl-9,10-dioxoanthracen-1-yl)propanediamide
CID 2749322
N-(9,10-dioxoanthracen-1-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3276435
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide
CID 2752532
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide (CID 13439298) is N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide?
The InChIKey is BJDDLSQESCYJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-13-7-5-8-14(2)20(13)26-24(30)23(29)25-18-12-6-11-17-19(18)22(28)16-10-4-3-9-15(16)21(17)27/h3-12H,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide?
N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide has a molecular weight of 398.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(9,10-dioxoanthracen-1-yl)oxamide is sourced from PubChem (CID 13439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).